Presentation by

Pranavathiyani G

M.Sc BioinformaticsCentre for Bioinformatics

Pondicherry University

Template-Free Modeling

of Protein Structures

Introduction

Proteins are made up of amino acids.

Protein Structural Organization.

i) Primary

ii) Secondary

iii)Tertiary

iv)Quaternary

Each protein folds into a unique three-dimensional

structure that enables it to carry out its biological

function.

Predicting the 3D structure of proteins from their amino acid sequences remains a challenging problem.

Structure Prediction Methods

Template-Free Modeling

Fragment assembly based methods use a library of

protein fragments obtained from known protein

structures to explore the structure space accessible to

the query protein.

The fragments themselves may be obtained from

remote homologs that share very weak sequence

similarity with the query protein and are typically not

good enough to be used directly for homology

modelling.

The quality of prediction drops significantly for larger

proteins since the conformational search becomes

tedious and less accurate for larger proteins.

Prediction Method

Building dynamic

library

Identification of fragments

from dynamic database

Sampling&

Scoring

Recent Publication

Conclusion

New methods for template-free modeling are needed to

advance computational techniques of protein structure

predictions.

Thank you